MDPI-ZINC03846866 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 71 0 0 1 0 0 0 0 0999 V2000 0.0040 1.4850 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.0470 0.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7070 -0.5240 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 -2.0520 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -2.5420 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -3.2960 0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -2.0570 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -0.5280 -1.0640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7800 -0.0980 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -0.0970 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.6300 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.0850 -1.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0020 1.0190 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5900 0.1100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3080 -1.6800 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -0.2460 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 -1.0700 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -1.4310 -0.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5740 -0.3580 -1.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0800 0.5970 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -0.8860 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5790 -1.4720 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -1.5360 -0.3510 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2650 -0.3820 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7550 -0.5480 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5240 0.5940 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7400 1.7500 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4460 2.7980 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9340 2.6900 1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7180 1.5340 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0170 0.4840 1.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9750 -2.7910 0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -2.8100 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.8520 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.8650 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.8280 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -0.1420 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -0.1350 2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -2.3800 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -2.4470 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -2.3620 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -2.4980 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 0.9870 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.5080 -3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -0.2770 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -1.7150 -2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -0.4680 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 0.8170 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 -1.9940 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3330 -0.5050 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -0.0640 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -1.6500 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4010 -0.8200 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -2.4710 -2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 -0.3790 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9110 0.5600 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9070 -0.5510 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 -1.4900 0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3590 1.8340 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6140 3.7010 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4850 3.5080 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1000 1.4490 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 -0.4200 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9230 -2.9220 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -3.5360 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -3.1250 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -2.7450 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 M END